Hello everyone, I have a question (or two, rather) regarding the vc-relax methods in PWSCF. First, is there a need for a high energy cutoff, or high number of kpoints? Second, having tried using it previously, I've found that the lattice constants are updated by very very small increments. What sets the scale on the size changes?
Thanks, A.F. Kemper Department of Physics and QTP University of Florda
